6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene

C32H22O2 — CID 122386604

IUPAC6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
SMILESCOc1ccc2ccc3ccc4ccc5ccc6ccc7c(OC)cccc7c6c5c4c3c2c1
InChIInChI=1S/C32H22O2/c1-33-24-16-14-19-6-7-20-8-10-23-13-12-22-11-9-21-15-17-25-26(4-3-5-28(25)34-2)29(21)31(22)32(23)30(20)27(19)18-24/h3-18H,1-2H3
InChIKeyAZVUYEXBUMJVIA-UHFFFAOYSA-N
MW438.53 g/mol
LogP8.62
Rot. Bonds2

About 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene

6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene (PubChem CID 122386604) has the molecular formula C32H22O2 and a molecular weight of 438.53 g/mol. Its IUPAC name is 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene.

Molecular Properties

Compound Name6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
PubChem CID122386604
Molecular FormulaC32H22O2
Molecular Weight438.53 g/mol
Exact Mass438.16
IUPAC Name6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene
SMILESCOc1ccc2ccc3ccc4ccc5ccc6ccc7c(OC)cccc7c6c5c4c3c2c1
InChIInChI=1S/C32H22O2/c1-33-24-16-14-19-6-7-20-8-10-23-13-12-22-11-9-21-15-17-25-26(4-3-5-28(25)34-2)29(21)31(22)32(23)30(20)27(19)18-24/h3-18H,1-2H3
InChIKeyAZVUYEXBUMJVIA-UHFFFAOYSA-N
XLogP8.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.53
LogP ≤ 58.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene with MolForge

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Related Compounds

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1,11-dimethoxychrysene
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CID 59171866
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(2,4-dimethoxyphenyl)-pyren-1-ylmethanone
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5-methoxybenzo[c]phenanthrene
CID 621003
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CID 25194479
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CID 22728210
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1,3,7-trimethoxynaphthalene
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Frequently Asked Questions

What is the IUPAC name of 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene?
The IUPAC name of 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene (CID 122386604) is 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene.
What is the SMILES notation for 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene?
The canonical SMILES for 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene is COc1ccc2ccc3ccc4ccc5ccc6ccc7c(OC)cccc7c6c5c4c3c2c1.
What is the InChIKey of 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene?
The InChIKey is AZVUYEXBUMJVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22O2/c1-33-24-16-14-19-6-7-20-8-10-23-13-12-22-11-9-21-15-17-25-26(4-3-5-28(25)34-2)29(21)31(22)32(23)30(20)27(19)18-24/h3-18H,1-2H3.
What are the key properties of 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene?
6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene has a molecular weight of 438.53 g/mol, XLogP of 8.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,25-dimethoxyheptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4(9),5,7,10,13,16,19,21(30),22,24(29),25,27-pentadecaene is sourced from PubChem (CID 122386604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).